Novel Computational Approach to Predict Off-Target Interactions for Small Molecules

Most small molecule drugs interact with unintended, often unknown, biological targets and these off-target interactions may lead to both preclinical and clinical toxic events. Undesired off-target interactions are often not detected using current drug discovery assays, such as experimental polypharm...

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Detalhes bibliográficos
Publicado no:Front Big Data
Main Authors: Rao, Mohan S., Gupta, Rishi, Liguori, Michael J., Hu, Mufeng, Huang, Xin, Mantena, Srinivasa R., Mittelstadt, Scott W., Blomme, Eric A. G., Van Vleet, Terry R.
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2019
Assuntos:
Big Data
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7931946/
https://ncbi.nlm.nih.gov/pubmed/33693348
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fdata.2019.00025
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